CID 6482983

2-(2,6-dimethylphenyl)-3-(2-furylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H17NO2S
SMILES
CC1=C(C(=CC=C1)C)C2N(C(=O)CS2)CC3=CC=CO3
InChI
InChI=1S/C16H17NO2S/c1-11-5-3-6-12(2)15(11)16-17(14(18)10-20-16)9-13-7-4-8-19-13/h3-8,16H,9-10H2,1-2H3
InChIKey
YHJQBYSVDNHBON-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.098 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10528 166.1
[M+Na]+ 310.08722 175.9
[M-H]- 286.09072 176.5
[M+NH4]+ 305.13182 184.0
[M+K]+ 326.06116 172.7
[M+H-H2O]+ 270.09526 160.1
[M+HCOO]- 332.09620 183.8
[M+CH3COO]- 346.11185 179.1
[M+Na-2H]- 308.07267 163.2
[M]+ 287.09745 169.7
[M]- 287.09855 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.